2-[4-[2-[4-(4-methylanilino)piperidin-1-yl]ethyl]oxan-4-yl]ethanol

C21H34N2O2 — CID 59715001

IUPAC2-[4-[2-[4-(4-methylanilino)piperidin-1-yl]ethyl]oxan-4-yl]ethanol
SMILESCc1ccc(NC2CCN(CCC3(CCO)CCOCC3)CC2)cc1
InChIInChI=1S/C21H34N2O2/c1-18-2-4-19(5-3-18)22-20-6-12-23(13-7-20)14-8-21(9-15-24)10-16-25-17-11-21/h2-5,20,22,24H,6-17H2,1H3
InChIKeyCBRPJSOFUGFBGU-UHFFFAOYSA-N
MW346.51 g/mol
LogP3.44
Rot. Bonds7

About 2-[4-[2-[4-(4-methylanilino)piperidin-1-yl]ethyl]oxan-4-yl]ethanol

2-[4-[2-[4-(4-methylanilino)piperidin-1-yl]ethyl]oxan-4-yl]ethanol (PubChem CID 59715001) has the molecular formula C21H34N2O2 and a molecular weight of 346.51 g/mol. Its IUPAC name is 2-[4-[2-[4-(4-methylanilino)piperidin-1-yl]ethyl]oxan-4-yl]ethanol.

Molecular Properties

Compound Name2-[4-[2-[4-(4-methylanilino)piperidin-1-yl]ethyl]oxan-4-yl]ethanol
PubChem CID59715001
Molecular FormulaC21H34N2O2
Molecular Weight346.51 g/mol
Exact Mass346.26
IUPAC Name2-[4-[2-[4-(4-methylanilino)piperidin-1-yl]ethyl]oxan-4-yl]ethanol
SMILESCc1ccc(NC2CCN(CCC3(CCO)CCOCC3)CC2)cc1
InChIInChI=1S/C21H34N2O2/c1-18-2-4-19(5-3-18)22-20-6-12-23(13-7-20)14-8-21(9-15-24)10-16-25-17-11-21/h2-5,20,22,24H,6-17H2,1H3
InChIKeyCBRPJSOFUGFBGU-UHFFFAOYSA-N
XLogP3.44
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.51
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[[4-(Dimethylamino)phenyl]methylamino]ethyl]-2,2-dimethyl-4-oxanol
CID 646846
5-(4-Methylanilino)pentan-1-ol
CID 10511987
[1-(3-Morpholin-4-ylbenzyl)-3-propylpiperidin-3-yl]methanol
CID 70729270
4-(((2-(4-isopentyl-2-isopropyltetrahydro-2H-pyran-4-yl)ethyl)amino)methyl)-N,N-dimethylaniline
CID 3749065
[1-[4-(1-Aminoethyl)-2-fluorophenyl]piperidin-3-yl]methanol
CID 43590359
[1-[2-Fluoro-4-[1-(methylamino)ethyl]phenyl]piperidin-3-yl]methanol
CID 43590373
[1-[4-[1-(Ethylamino)ethyl]-2-fluorophenyl]piperidin-3-yl]methanol
CID 43590374
[1-[2-Fluoro-4-[1-(propylamino)ethyl]phenyl]piperidin-3-yl]methanol
CID 43590375
[1-[4-Fluoro-2-[(propan-2-ylamino)methyl]phenyl]piperidin-3-yl]methanol
CID 43590464
[1-[4-(Ethylaminomethyl)-2-fluorophenyl]piperidin-3-yl]methanol
CID 43590499
[1-[2-Fluoro-4-(propylaminomethyl)phenyl]piperidin-3-yl]methanol
CID 43590500
[1-[2-Fluoro-4-[(propan-2-ylamino)methyl]phenyl]piperidin-3-yl]methanol
CID 43590501

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-(4-methylanilino)piperidin-1-yl]ethyl]oxan-4-yl]ethanol?
The IUPAC name of 2-[4-[2-[4-(4-methylanilino)piperidin-1-yl]ethyl]oxan-4-yl]ethanol (CID 59715001) is 2-[4-[2-[4-(4-methylanilino)piperidin-1-yl]ethyl]oxan-4-yl]ethanol.
What is the SMILES notation for 2-[4-[2-[4-(4-methylanilino)piperidin-1-yl]ethyl]oxan-4-yl]ethanol?
The canonical SMILES for 2-[4-[2-[4-(4-methylanilino)piperidin-1-yl]ethyl]oxan-4-yl]ethanol is Cc1ccc(NC2CCN(CCC3(CCO)CCOCC3)CC2)cc1.
What is the InChIKey of 2-[4-[2-[4-(4-methylanilino)piperidin-1-yl]ethyl]oxan-4-yl]ethanol?
The InChIKey is CBRPJSOFUGFBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O2/c1-18-2-4-19(5-3-18)22-20-6-12-23(13-7-20)14-8-21(9-15-24)10-16-25-17-11-21/h2-5,20,22,24H,6-17H2,1H3.
What are the key properties of 2-[4-[2-[4-(4-methylanilino)piperidin-1-yl]ethyl]oxan-4-yl]ethanol?
2-[4-[2-[4-(4-methylanilino)piperidin-1-yl]ethyl]oxan-4-yl]ethanol has a molecular weight of 346.51 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-(4-methylanilino)piperidin-1-yl]ethyl]oxan-4-yl]ethanol is sourced from PubChem (CID 59715001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).